5-cyclopropyl-2-[(4-oxidanylidene-1H-quinazolin-2-yl)methylsulfanyl]-3-prop-2-enyl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 5-cyclopropyl-2-[(4-oxidanylidene-1H-quinazolin-2-yl)methylsulfanyl]-3-prop-2-enyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-allyl-5-cyclopropyl-2-[(4-oxo-1H-quinazolin-2-yl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-one CAS Name: 5-cyclopropyl-2-[(4-oxo-1H-quinazolin-2-yl)methylthio]-3-prop-2-enyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 5-cyclopropyl-2-[(4-oxo-1H-quinazolin-2-yl)methylsulfanyl]-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-allyl-5-cyclopropyl-2-[(4-keto-1H-quinazolin-2-yl)methylthio]thieno[2,3-d]pyrimidin-4-one Formula: C21H18N4O2S2 MolecularWeight: 422.52322

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(N=C1SCC3=NC(=O)C4=CC=CC=C4N3)SC=C2C5CC5

Isomeric SMILES

C=CCN1C(=O)C2=C(N=C1SCC3=NC(=O)C4=CC=CC=C4N3)SC=C2C5CC5

InChI

InChI=1S/C21H18N4O2S2/c1-2-9-25-20(27)17-14(12-7-8-12)10-28-19(17)24-21(25)29-11-16-22-15-6-4-3-5-13(15)18(26)23-16/h2-6,10,12H,1,7-9,11H2,(H,22,23,26)